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- W4318477563 endingPage "248" @default.
- W4318477563 startingPage "248" @default.
- W4318477563 abstract "The increasing emergence of Mycobacterium tuberculosis (Mtb) strains resistant to traditional anti-tuberculosis drugs has alarmed health services worldwide. The search for new therapeutic targets and effective drugs that counteract the virulence and multiplication of Mtb represents a challenge for the scientific community. Several studies have considered the erp gene a possible therapeutic target in the last two decades, since its disruption negatively impacts Mtb multiplication. This gene encodes the exported repetitive protein (Erp), which is located in the cell wall of Mtb. In vitro studies have shown that the Erp protein interacts with two putative membrane proteins, Rv1417 and Rv2617c, and the impairment of their interactions can decrease Mtb replication. In this study, we present five nicotine analogs that can inhibit the formation of heterodimers and trimers between these proteins. Through DFT calculations, molecular dynamics, docking, and other advanced in silico techniques, we have analyzed the molecular complexes, and show the effect these compounds have on protein interactions. The results show that four of these analogs can be possible candidates to counteract the pathogenicity of Mtb. This study aims to combine research on the Erp protein as a therapeutic target in the search for new drugs that serve to create new therapies against tuberculosis disease." @default.
- W4318477563 created "2023-01-30" @default.
- W4318477563 creator A5006353601 @default.
- W4318477563 creator A5025148588 @default.
- W4318477563 creator A5026200090 @default.
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- W4318477563 creator A5048556689 @default.
- W4318477563 creator A5053300229 @default.
- W4318477563 creator A5054230047 @default.
- W4318477563 creator A5081680495 @default.
- W4318477563 date "2023-01-28" @default.
- W4318477563 modified "2023-10-06" @default.
- W4318477563 title "Study of the Rv1417 and Rv2617c Membrane Proteins and Their Interactions with Nicotine Derivatives as Potential Inhibitors of Erp Virulence-Associated Factor in Mycobacterium tuberculosis: An In Silico Approach" @default.
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